2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine

C15H21N3S — CID 117165594

IUPAC2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1C1CCSC1
InChIInChI=1S/C15H21N3S/c1-15(2,3)9-13-17-12-5-4-7-16-14(12)18(13)11-6-8-19-10-11/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyRZOQKKIEVFSLEO-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.70
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117165594) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117165594
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cccnc2n1C1CCSC1
InChIInChI=1S/C15H21N3S/c1-15(2,3)9-13-17-12-5-4-7-16-14(12)18(13)11-6-8-19-10-11/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyRZOQKKIEVFSLEO-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117165594) is 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is CC(C)(C)Cc1nc2cccnc2n1C1CCSC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is RZOQKKIEVFSLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)9-13-17-12-5-4-7-16-14(12)18(13)11-6-8-19-10-11/h4-5,7,11H,6,8-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 275.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).